5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione

C7H11N3O3 — CID 7373413

IUPAC5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
SMILESC[C@@H](O)CNc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-4(11)2-8-5-3-9-7(13)10-6(5)12/h3-4,8,11H,2H2,1H3,(H2,9,10,12,13)/t4-/m1/s1
InChIKeyNLRZFYMKBQGPJZ-SCSAIBSYSA-N
MW185.18 g/mol
LogP-1.14
Rot. Bonds3

About 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione

5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione (PubChem CID 7373413) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
PubChem CID7373413
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
SMILESC[C@@H](O)CNc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O3/c1-4(11)2-8-5-3-9-7(13)10-6(5)12/h3-4,8,11H,2H2,1H3,(H2,9,10,12,13)/t4-/m1/s1
InChIKeyNLRZFYMKBQGPJZ-SCSAIBSYSA-N
XLogP-1.14
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione (CID 7373413) is 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione is C[C@@H](O)CNc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione?
The InChIKey is NLRZFYMKBQGPJZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4(11)2-8-5-3-9-7(13)10-6(5)12/h3-4,8,11H,2H2,1H3,(H2,9,10,12,13)/t4-/m1/s1.
What are the key properties of 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione?
5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione has a molecular weight of 185.18 g/mol, XLogP of -1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 7373413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).